Compound Identification
SMILES
CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC1=C(C(=O)OC)C2=C(CCCCC2)S1
InChIKey
InChIKey=LEDOMIYTSQOAGH-UHFFFAOYSA-N
Formula
C21H24N2O6S
Mass
432.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptathiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptathiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptathiophenes
Alternative Parents
Pyridinecarboxylic acids Thiophene carboxylic acids and derivatives N-arylamides Alkyl aryl ethers Vinylogous amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Thiophene carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - Pyridine - Methyl ester - Vinylogous amide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
Not available